5-[[4-(4-tert-butyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylsulfanyl-pyrimidine

Systemtic Name: 5-[[4-(4-tert-butyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylsulfanyl-pyrimidine Openeye Name: 5-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylsulfanyl-pyrimidine CAS Name: 5-[[4-(4-tert-butyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-2-(methylthio)pyrimidine IUPAC Name: 5-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylsulfanylpyrimidine Traditional Name: 5-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-(methylthio)pyrimidine Formula: C17H27N6S+ MolecularWeight: 347.50148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=C(N=C3)SC

Isomeric SMILES

CC(C)(C)C1=CN(N=N1)C2CC[NH+](CC2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C17H26N6S/c1-17(2,3)15-12-23(21-20-15)14-5-7-22(8-6-14)11-13-9-18-16(24-4)19-10-13/h9-10,12,14H,5-8,11H2,1-4H3/p+1